4-Hydroxy-3- (phenylmethoxy) benzoic acid

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CAS Number

159832-34-5

MDL Number

MFCD23110928

Smiles

O (Cc1ccccc1) c1cc (C (=O) O) ccc1O

Chemical Information

3-(Benzyloxy)-4-hydroxybenzoic acid

CAS Number	159832-34-5
PubChem CID	19744756
IUPAC Name	4-hydroxy-3-phenylmethoxybenzoic acid
Molecular Formula	C14H12O4
Molecular Weight	244.24
XLogP	2.9
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	273

SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)O

InChI

InChI=1S/C14H12O4/c15-12-7-6-11(14(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)

InChIKey

YEFZIBGGMNFCBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 159832-34-5

CID: 19744756

Formula: C14H12O4

MW: 244.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.24
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	244.07355886
Monoisotopic Mass	244.07355886
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	273
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1096494	4-Methyl-2- (phenylmethoxy) benzoic acid
PC1014008	3-Chloro-5-fluoro-4- (phenylmethoxy) -benzoic acid
OR1043071-01	Benzoic acid, 3- (phenylmethoxy) -, methyl ester
OR1072985-01	3-Hydroxy-4- (hydroxymethyl) benzoic acid
OR322545	4-Hydroxy-3- (morpholinomethyl) benzoic acid
OR345023	3-Bromo-4-hydroxy benzoic acid
PC1007641-01	3-Hydroxy-4- (trifluoromethyl) benzoic acid
OR1074357-01	3-Hydroxy-4- (methoxycarbonyl) benzoic acid
OR40106-01	4-Hydroxy-3- (methoxycarbonyl) benzoic acid
PC7851-01	4-Hydroxy-3- (trifluoromethyl) benzoic acid

Catalog	Name
H101015	2-Hydroxy-4-(phenylmethoxy)benzoic Acid
sc-503824	3,4-Bis (phenylmethoxy) -benzoic Acid
H101020	2-Hydroxy-4-(phenylmethoxy)benzoic Acid Methyl Ester
TRC-B521350-2.5G	3,4-Bis(phenylmethoxy)-benzoic Acid
FAA42729-01	2-Hydroxy-4- (phenylmethoxy) benzoic Acid Methyl Ester
sc-488448	3-Hydroxy-5- (phenylmethoxy) benzoic Acid Methyl Ester
TRC-H949345-5G	3-Hydroxy-5-(phenylmethoxy)benzoic Acid Methyl Ester
469407-01	α-Hydroxy-4- (phenylmethoxy) benzenepropanoic Acid
418206-01	2-Hydroxy-2-[[3- (phenylmethoxy) phenyl]methylene] Hydrazide Benzoic Acid
TRC-H951015-250MG	2-Hydroxy-2-[[3-(phenylmethoxy)phenyl]methylene] Hydrazide Benzoic Acid